Ligand name: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
PDB ligand accession: 3QS
DrugBank: n/a
PubChem: 86278565
ChEMBL: CHEMBL3354189
InChI Key: BYMFSZLMPVZBJV-UHFFFAOYSA-N
SMILES: COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyridines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4RJ8	Download	Experimental	e4rj8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot